N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C23H23ClN4O3 — CID 46398876

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C23H23ClN4O3/c1-16-21(18(14-25)23(31-16)28-8-4-5-9-28)22(29)26-15-20(27-10-12-30-13-11-27)17-6-2-3-7-19(17)24/h2-9,20H,10-13,15H2,1H3,(H,26,29)
InChIKeyKEWSCBFIKWRBJY-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 46398876) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID46398876
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C23H23ClN4O3/c1-16-21(18(14-25)23(31-16)28-8-4-5-9-28)22(29)26-15-20(27-10-12-30-13-11-27)17-6-2-3-7-19(17)24/h2-9,20H,10-13,15H2,1H3,(H,26,29)
InChIKeyKEWSCBFIKWRBJY-UHFFFAOYSA-N
XLogP3.71
TPSA83.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
4-cyano-2-methyl-N-[(4-phenyloxan-4-yl)methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86983100
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
CID 51938682
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38536284
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
4-cyano-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111697783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 46398876) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is KEWSCBFIKWRBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-16-21(18(14-25)23(31-16)28-8-4-5-9-28)22(29)26-15-20(27-10-12-30-13-11-27)17-6-2-3-7-19(17)24/h2-9,20H,10-13,15H2,1H3,(H,26,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 46398876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).